[4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium

C60H46FGeIrN3OS-2 — CID 156657714

About [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium (PubChem CID 156657714) has the molecular formula C60H46FGeIrN3OS-2 and a molecular weight of 1141.95 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium
• PubChem CID: 156657714
• Molecular Formula: C60H46FGeIrN3OS-2
• Molecular Weight: 1141.95 g/mol
• Exact Mass: 1143.23
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium
• SMILES: Fc1ccc(-c2ccc(-n3c(-c4[c-]cc5oc6ccc(-c7ccccc7)cc6c5c4)nc4ccccc43)cc2)cc1.[2H]C(C)(C)c1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C37H22FN2O.C23H24GeNS.Ir/c38-29-16-10-25(11-17-29)26-12-18-30(19-13-26)40-34-9-5-4-8-33(34)39-37(40)28-15-21-36-32(23-28)31-22-27(14-20-35(31)41-36)24-6-2-1-3-7-24;1-15(2)18-13-21(25-14-20(18)24(3,4)5)16-10-11-23-19(12-16)17-8-6-7-9-22(17)26-23;/h1-14,16-23H;6-9,11-15H,1-5H3;/q2*-1;/i;15D
• InChIKey: JNZMKDXAQKTDGQ-OKOLXXSWSA-N
• XLogP: 16.45
• TPSA: 43.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.95
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium (CID 156657714) is [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium is Fc1ccc(-c2ccc(-n3c(-c4[c-]cc5oc6ccc(-c7ccccc7)cc6c5c4)nc4ccccc43)cc2)cc1.[2H]C(C)(C)c1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium?

The InChIKey is JNZMKDXAQKTDGQ-OKOLXXSWSA-N. The full InChI is InChI=1S/C37H22FN2O.C23H24GeNS.Ir/c38-29-16-10-25(11-17-29)26-12-18-30(19-13-26)40-34-9-5-4-8-33(34)39-37(40)28-15-21-36-32(23-28)31-22-27(14-20-35(31)41-36)24-6-2-1-3-7-24;1-15(2)18-13-21(25-14-20(18)24(3,4)5)16-10-11-23-19(12-16)17-8-6-7-9-22(17)26-23;/h1-14,16-23H;6-9,11-15H,1-5H3;/q2*-1;/i;15D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium?

[4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium has a molecular weight of 1141.95 g/mol, XLogP of 16.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium is sourced from PubChem (CID 156657714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).